Compound Detail
CHEMBL1808388
BEXAGLIFLOZIN 💊 Approved Drug
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💊 Approved Drug
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCCOC4CC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1808388 |
| Name | BEXAGLIFLOZIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | BTCRKOKVYTVOLU-SJSRKZJXSA-N |
| Therapeutic | ✓ Yes |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
16
Publications
10
Known Names
3
Indications
1
Mechanisms
Molecular Properties
464.9
MW (Da)
2.00
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2023 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Sodium/glucose cotransporter 2 inhibitor | INHIBITOR | Sodium/glucose cotransporter 2 | ✓ | ✓ |
Indications
Diabetes Mellitus Diabetes Mellitus, Type 2 Essential Hypertension
ATC Classification
A10BK08
bexagliflozin
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS USED IN DIABETES
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.7 | 8.67 | 2.0 | 2 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 2.0 | nM | 8.7 | Affinity On-target Cellular interaction: (AMG uptake assay in presence of 25% hu... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 2.3 | nM | 8.64 | Inhibition of human SGLT2 expressed in african green monkey COS7 cells assessed ... | 21737266 |
| Sodium/glucose cotransporter 1 | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of... | 21737266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Unchecked | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Sodium/glucose cotransporter 1 | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Sodium/glucose cotransporter 2 | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Rattus norvegicus | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Canis familiaris | 1 |
| - | 10.6019/CHEMBL5723379 | Sodium/glucose cotransporter 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine